(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

C15H19N5OS — CID 125441316

IUPAC(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@H](C(=O)NCc1csc(-c2cnccn2)n1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c1-11(20-6-2-3-7-20)14(21)18-8-12-10-22-15(19-12)13-9-16-4-5-17-13/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyDQUZPNBLKIIFNP-LLVKDONJSA-N
MW317.42 g/mol
LogP1.70
Rot. Bonds5

About (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 125441316) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID125441316
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@H](C(=O)NCc1csc(-c2cnccn2)n1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c1-11(20-6-2-3-7-20)14(21)18-8-12-10-22-15(19-12)13-9-16-4-5-17-13/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyDQUZPNBLKIIFNP-LLVKDONJSA-N
XLogP1.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 110238846
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131928986
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92551502
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (CID 125441316) is (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is C[C@H](C(=O)NCc1csc(-c2cnccn2)n1)N1CCCC1.
What is the InChIKey of (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is DQUZPNBLKIIFNP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(20-6-2-3-7-20)14(21)18-8-12-10-22-15(19-12)13-9-16-4-5-17-13/h4-5,9-11H,2-3,6-8H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 317.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125441316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).